├── DATA ├── Data for training+trasfer script.zip ├── List of matrices transfer data sets.zip ├── MOLECULES_SDF.zip ├── Pre-trained │ ├── model_MassBank1.h5 │ ├── model_Metabobase.h5 │ ├── model_hilic_retip.h5 │ ├── model_life_new.h5 │ ├── model_life_old.h5 │ └── model_riken_retip.h5 ├── SMILES and RTs.zip ├── SMRT list of matrices │ ├── list_matrices_METLIN_Hilic.RData │ ├── list_matrices_METLIN_MassBank1.RData │ ├── list_matrices_METLIN_MetaboBASE.RData │ └── list_matrices_METLIN_Riken.RData └── Train initial model for SMRT.zip ├── LICENSE ├── README.md ├── Report ├── Report_SMRT_model.Rmd └── Report_SMRT_model.pdf ├── Scripts ├── Build Model from scratch.R ├── FINAL SCRIPT FOR TRANSFER LEARNING ├── ML for HPLC ├── Plots ├── Transfer_learning_article.R └── two branch NN └── graphical abstract.png /DATA/Data for training+trasfer script.zip: -------------------------------------------------------------------------------- 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